iterations/neb0_image02_iter44_OSZICAR.out output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
N E dE d eps ncg rms rms(c)
DAV: 1 0.144835770410E+04 0.14484E+04 -0.44196E+04 330 0.697E+02
DAV: 2 0.224412357320E+03 -0.12239E+04 -0.11469E+04 435 0.163E+02
DAV: 3 -0.363013014407E+03 -0.58743E+03 -0.58428E+03 345 0.114E+02
DAV: 4 -0.433511862506E+03 -0.70499E+02 -0.70269E+02 309 0.508E+01
DAV: 5 -0.435094703858E+03 -0.15828E+01 -0.15802E+01 318 0.781E+00 0.426E+01
DAV: 6 -0.389080023969E+03 0.46015E+02 -0.14819E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385593515147E+03 0.34865E+01 -0.12899E+01 345 0.776E+00 0.104E+01
DAV: 8 -0.384154321697E+03 0.14392E+01 -0.25163E+00 345 0.385E+00 0.434E+00
DAV: 9 -0.383594791901E+03 0.55953E+00 -0.12086E+00 336 0.225E+00 0.126E+00
DAV: 10 -0.383521038816E+03 0.73753E-01 -0.34884E-01 336 0.119E+00 0.100E+00
DAV: 11 -0.383495672313E+03 0.25367E-01 -0.66154E-02 318 0.581E-01 0.775E-01
DAV: 12 -0.383476426789E+03 0.19246E-01 -0.43324E-02 336 0.522E-01 0.802E-01
DAV: 13 -0.383458804868E+03 0.17622E-01 -0.10730E-01 345 0.604E-01 0.784E-01
DAV: 14 -0.383452300815E+03 0.65041E-02 -0.13058E-02 327 0.321E-01 0.539E-01
DAV: 15 -0.383451867885E+03 0.43293E-03 -0.35158E-02 336 0.290E-01 0.581E-01
DAV: 16 -0.383450046052E+03 0.18218E-02 -0.11967E-02 309 0.347E-01 0.254E-01
DAV: 17 -0.383455677007E+03 -0.56310E-02 -0.61254E-03 318 0.217E-01 0.121E-01
DAV: 18 -0.383464807179E+03 -0.91302E-02 -0.16419E-03 300 0.144E-01 0.139E-01
DAV: 19 -0.383478257031E+03 -0.13450E-01 -0.35437E-03 300 0.176E-01 0.843E-02
DAV: 20 -0.383484871538E+03 -0.66145E-02 -0.14747E-03 327 0.111E-01 0.576E-02
DAV: 21 -0.383489061142E+03 -0.41896E-02 -0.30684E-04 318 0.463E-02 0.740E-02
DAV: 22 -0.383494305454E+03 -0.52443E-02 -0.23271E-04 309 0.320E-02 0.582E-02
DAV: 23 -0.383498266712E+03 -0.39613E-02 -0.24221E-04 318 0.340E-02 0.182E-02
DAV: 24 -0.383500079822E+03 -0.18131E-02 -0.76821E-05 318 0.194E-02 0.129E-02
DAV: 25 -0.383501166687E+03 -0.10869E-02 -0.31157E-05 282 0.102E-02 0.110E-02
DAV: 26 -0.383502242632E+03 -0.10759E-02 -0.56281E-05 291 0.123E-02 0.520E-03
DAV: 27 -0.383502479335E+03 -0.23670E-03 -0.54002E-06 237 0.549E-03 0.539E-03
DAV: 28 -0.383502696611E+03 -0.21728E-03 -0.66826E-06 201 0.501E-03 0.391E-03
DAV: 29 -0.383502779193E+03 -0.82581E-04 -0.32327E-06 228 0.353E-03 0.210E-03
DAV: 30 -0.383502829224E+03 -0.50032E-04 -0.19015E-06 192 0.282E-03 0.168E-03
DAV: 31 -0.383502852239E+03 -0.23015E-04 -0.11130E-06 228 0.213E-03 0.115E-03
DAV: 32 -0.383502868908E+03 -0.16668E-04 -0.63329E-07 192 0.172E-03 0.879E-04
DAV: 33 -0.383502875591E+03 -0.66834E-05 -0.33500E-07 219 0.103E-03
1 F= -.38350288E+03 E0= -.38351933E+03 d E =0.493550E-01